SCHEMBL14780846

SCHEMBL14780846

CCCCc1nn(-c2nc(OC)nc(-n3nc(CCCC)c(/N=N/c4sc(NC(C)=O)c(C)c4C(=O)OC)c3N)n2)c(N)c1/N=N/c1sc(NC(C)=O)c(C)c1C(=O)CO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14780844 0.78 — —
SCHEMBL10332136 0.75 HPGD (0.31) HPGD
SCHEMBL12506517 0.72 KDM4E (0.32) —
SCHEMBL9974625 0.72 KMT2A (0.31) —
SCHEMBL14765506 0.69 KMT2A (0.33) —
SCHEMBL16378057 0.68 — —
SCHEMBL9974657 0.67 KMT2A (0.32) —
SCHEMBL10278699 0.67 — —
SCHEMBL14548632 0.66 TSHR (0.41) ALDH1A1HPGD
SCHEMBL12414825 0.66 HPGD (0.35) HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399545-B2 Azo pigment-containing aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2013-03-19 — — US disclosed
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